SCHEMBL9409528

SCHEMBL9409528

COC(=O)CC[C@H]1CC[C@H](NC(=O)c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.38
HDAC6 Q9UBN7 3/20 0.38
KMT2A Q03164 2/20 0.38
USP30 Q70CQ3 1/20 0.38
NAMPT P43490 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
POLB P06746 1/20 0.37
GPR119 Q8TDV5 4/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
TSHR P16473 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9409500 0.81 HDAC4 (0.48) HDAC4KDM4EPKML3MBTL1HDAC6
SCHEMBL9409541 0.79 PDE4B (0.46) HDAC4KDM4EPKML3MBTL1HDAC6
Hydrochloric Acid SCHEMBL9409522 0.78 OPRM1 (0.39) HDAC4HDAC6KMT2ADRD2MEN1
SCHEMBL9409426 0.77 PKM (0.48) PKMHDAC6KMT2AMEN1HDAC1
SCHEMBL9409509 0.74 RORC (0.44) KMT2AUSP30MEN1HDAC1GPR119
SCHEMBL9409396 0.73 HTR2A (0.49) KMT2ADRD2HTR2ADRD3MEN1
SCHEMBL30127217 0.71 NR1H2 (0.47) L3MBTL1KMT2AUSP30MEN1HDAC1
SCHEMBL27099790 0.71 TSHR (0.52) USP30GPR119TSHR
Hydrochloric Acid SCHEMBL9409530 0.70 OPRM1 (0.38) HDAC4HDAC6KMT2ADRD2HTR2A
SCHEMBL9288197 0.70 CA1 (0.42) HDAC6DRD2HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed